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Atomic-orbital Based Ab-initio Computation at UStc
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source_io
write_proj_band_lcao.h
Go to the documentation of this file.
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#ifndef WRITE_PROJ_BAND_LCAO_H
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#define WRITE_PROJ_BAND_LCAO_H
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#include "
source_basis/module_ao/ORB_read.h
"
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#include "
source_cell/klist.h
"
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#include "
source_cell/module_neighbor/sltk_grid_driver.h
"
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#include "
source_cell/unitcell.h
"
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#include "
source_estate/elecstate.h
"
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#include "
source_psi/psi.h
"
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#include "
source_hamilt/hamilt.h
"
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#include "
source_basis/module_ao/parallel_orbitals.h
"
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namespace
ModuleIO
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{
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template
<
typename
TK>
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void
write_proj_band_lcao
(
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const
psi::Psi<TK>
*
psi
,
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const
Parallel_Orbitals
&pv,
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const
elecstate::ElecState
* pelec,
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const
K_Vectors
& kv,
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const
UnitCell
&ucell,
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hamilt::Hamilt<TK>
* p_ham);
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}
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#endif
ORB_read.h
K_Vectors
Definition
klist.h:13
Parallel_Orbitals
Definition
parallel_orbitals.h:9
UnitCell
Definition
unitcell.h:16
elecstate::ElecState
Definition
elecstate.h:15
hamilt::Hamilt
Definition
hamilt.h:16
psi::Psi
Definition
psi.h:37
elecstate.h
hamilt.h
ModuleIO
This class has two functions: restart psi from the previous calculation, and write psi to the disk.
Definition
cal_dos.h:9
ModuleIO::write_proj_band_lcao
void write_proj_band_lcao(const psi::Psi< TK > *psi, const Parallel_Orbitals &pv, const elecstate::ElecState *pelec, const K_Vectors &kv, const UnitCell &ucell, hamilt::Hamilt< TK > *p_ham)
psi
Definition
exx_lip.h:23
psi.h
sltk_grid_driver.h
parallel_orbitals.h
klist.h
unitcell.h
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